SCHEMBL29048679

SCHEMBL29048679

CCOc1ccc(Nc2ccc(-c3ccnc(-c4ccc(OCC)cc4OCC)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
NFKB1 P19838 1/20 0.39
MAPT P10636 5/20 0.39
KDR P35968 2/20 0.38
PLK1 P53350 2/20 0.38
PTGIR P43119 1/20 0.38
GAA P10253 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29048612 0.94 CYP2D6 (0.45) SYKALOX5KDM4ELMNASMN1; SMN2
SCHEMBL29048661 0.94 MAPT (0.40) SYKALOX5KDM4ELMNASMN1; SMN2
SCHEMBL29048632 0.94 MAPT (0.43) SYKKDM4ELMNASMN1; SMN2TP53
SCHEMBL29048664 0.94 AGPAT2 (0.39) SYKALOX5KDM4ELMNASMN1; SMN2
SCHEMBL29048609 0.94 KDM4E (0.45) SYKALOX5KDM4ELMNASMN1; SMN2
SCHEMBL29048634 0.93 MAPKAPK2 (0.42) SYKALOX5KDM4ELMNASMN1; SMN2
SCHEMBL29048674 0.92 CYP2D6 (0.43) SYKALOX5NPC1RAB9AMAPT
SCHEMBL29048666 0.92 CYP2D6 (0.42) SYKALOX5KDM4EMAPTCYP19A1
SCHEMBL29048652 0.91 MAPT (0.38) SYKALOX5KDM4ELMNASMN1; SMN2
SCHEMBL29048683 0.91 FGFR2 (0.41) SYKALOX5KDM4ELMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed